2-acetyl-3-amino-5-hydroxynaphthalene-1,4-dione
AlkaPlorer ID: AK007767
Synonym: None
IUPAC Name: 3-acetyl-4,8-dihydroxy-2-iminonaphthalen-1-one
Structure
SMILES: CC(=O)C1=C(N)C(=O)C2=C(C=CC=C2O)C1=O
InChI: InChI=1S/C12H9NO4/c1-5(14)8-10(13)12(17)9-6(11(8)16)3-2-4-7(9)15/h2-4,15H,13H2,1H3
InChIKey: GADBCXPEZFEVON-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Goniothalamus marcanii | Goniothalamus | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 231.207
TPSA？: 97.46
MolLogP？: 0.5730000000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | ED50 | 2.6 | uM | 10.1021/np990197c |
| Homo sapiens | HT-29 | ED50 | nan | None | 10.1021/np990197c |
| Homo sapiens | MCF7 | ED50 | 2.6 | uM | 10.1021/np990197c |
| Homo sapiens | U-251 | ED50 | 3.03 | uM | 10.1021/np990197c |
| None | NON-PROTEIN TARGET | ED50 | 3.03 | uM | 10.1021/np990197c |